| Properties | Image |
|---|
| MNX_ID | MNXM166711 |
 |
| reference | biggM:CE5835 |
| formula | C29H50O3 |
| global charge | 0 |
| mol weight | 446.716 |
| InChIKey | RGHRSULFYHBXJZ-CBKONRTBSA-N |
| InChI | InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-28(8)19-17-26-24(6)27(30)23(5)25(7)29(26,31)32-28/h20-22,31H,9-19H2,1-8H3/t21-,22-,28+,29?/m0/s1 |
| SMILES | CC1=C(C)C2(O)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CCC2=C(C)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-28(8)19-17-26-24(6)27(30)23(5)25(7)29(26,31)32-28/h20-22,31H,9-19H2,1-8H3/t21-,22-,28+,29?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:12][CH2:9][CH2:13][C@H:21]([CH3:3])[CH2:14][CH2:10][CH2:15][C@H:22]([CH3:4])[CH2:16][CH2:11][CH2:18][C@:28]1([CH3:8])[CH2:19][CH2:17][C:26]2=[C:24]([CH3:6])[C:27](=[O:30])[C:23]([CH3:5])=[C:25]([CH3:7])[C:29]2([OH:31])[O:32]1 |
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